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2-Chloro-4,6-dimethoxy-5-methyl-3-nitrophenol
SpectraBase Compound ID 7in7DadQ6yx
InChI InChI=1S/C9H10ClNO5/c1-4-8(15-2)6(11(13)14)5(10)7(12)9(4)16-3/h12H,1-3H3
InChIKey YUHQTMUTHJPYPB-UHFFFAOYSA-N
Mol Weight 247.63 g/mol
Molecular Formula C9H10ClNO5
Exact Mass 247.02475 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FXRuRWFty4h
Name 2-Chloro-4,6-dimethoxy-5-methyl-3-nitrophenol
Appearance Pale-yellow crystals
Carrier Gas Helium
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Formula C9H10ClNO5
InChI InChI=1S/C9H10ClNO5/c1-4-8(15-2)6(11(13)14)5(10)7(12)9(4)16-3/h12H,1-3H3
InChIKey YUHQTMUTHJPYPB-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800359
Molecular Weight 247.634 g/mol
Quality 914
SMILES OC1=C(Cl)C(=C(C(=C1OC)C)OC)[N+](=O)[O-]
SPLASH splash10-00or-9710000000-566a1e9a0b2fc7253972
Source of Spectrum K1-2018-SM17-6 (DOI: 10.1002/ejoc.201800359)
Thin-Layer Chromatography 0.29 (CH2Cl2/hexane, 60:40)
Wiley ID 1896931